(Q27098155)

(5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoic acid (English)

4 October 2016

chemical formula

C₂₀H₃₄O₅

1 reference

(5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoic acid (English)

4 October 2016

canonical SMILES

CCCCCC=CCC(C(C=CC(CC=CCCCC(=O)O)O)O)O

1 reference

(5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoic acid (English)

4 October 2016

isomeric SMILES

CCCCC/C=C\C[C@H](C(/C=C/C(C/C=C\CCCC(=O)O)O)O)O

1 reference

Recon 2.2: from reconstruction to model of human metabolism

(5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoic acid (English)

4 October 2016

2 references

stated in

A community-driven global reconstruction of human metabolism.

Identifiers

InChI

InChI=1S/C20H34O5/c1-2-3-4-5-6-10-13-18(22)19(23)16-15-17(21)12-9-7-8-11-14-20(24)25/h6-7,9-10,15-19,21-23H,2-5,8,11-14H2,1H3,(H,24,25)/b9-7-,10-6-,16-15+/t17?,18-,19?/m1/s1

1 reference

(5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoic acid (English)

WPLPEZUSILBTGP-LTNYKQEOSA-N

4 October 2016

InChIKey

2 references

(5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoic acid (English)

4 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(5Z,9E,12R,14Z)-8,11,12-Trihydroxy-5,9,14-icosatrienoic acid (English)

4 October 2016

2 references

(5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoic acid (English)

matched by identifier from

4 October 2016

InChIKey

WPLPEZUSILBTGP-LTNYKQEOSA-N

ChEBI ID

15630

mapping relation type

2 references

(5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoic acid (English)

matched by identifier from

4 October 2016

International Chemical Identifier

InChI

InChI=1S/C20H34O5/c1-2-3-4-5-6-10-13-18(22)19(23)16-15-17(21)12-9-7-8-11-14-20(24)25/h6-7,9-10,15-19,21-23H,2-5,8,11-14H2,1H3,(H,24,25)/b9-7-,10-6-,16-15+/t17?,18-,19?/m1/s1

1 reference

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download